REMARK  Name = BDB004804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.222   0.209   0.036  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.571  -0.204   0.081  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        2.457   0.424  -0.812  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        3.805   0.010  -0.784  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1        4.257  -0.986   0.107  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1        3.381  -1.588   0.993  0.00  0.00    +0.122 A 
ATOM      7  N   LIG    1        2.013   1.385  -1.653  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        0.717   1.712  -1.598  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.048  -1.193   0.976  0.00  0.00    +0.059 A 
ATOM     10  N   LIG    1       -0.198   1.166  -0.802  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        4.855   0.586  -1.684  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.018   0.196  -1.645  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.497   1.564  -2.563  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.200   1.966  -3.165  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        3.540   1.905  -2.600  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.708  -0.402   0.906  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.693  -1.399   0.676  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.124   0.019   0.862  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.329   1.479   1.241  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -1.827   1.939   2.473  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -2.010   3.261   2.861  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -1.524   3.677   4.038  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -2.692   4.157   2.049  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -3.195   3.723   0.825  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.016   2.394   0.424  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -2.817  -0.521  -0.429  0.00  0.00    +0.108 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -2.593  -1.979  -0.584  0.00  0.00    -0.314 NA
ATOM     28  H   LIG    1       -3.097  -2.475   0.152  0.00  0.00    +0.122 HD
BRANCH  27  30
ATOM     29  C   LIG    1       -4.542  -2.502  -2.058  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -3.029  -2.474  -1.891  0.00  0.00    +0.077 C 
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   6  31
ATOM     31  O   LIG    1        3.687  -2.554   1.907  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1        5.048  -2.966   1.979  0.00  0.00    +0.277 C 
ENDBRANCH   6  31
TORSDOF 8